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Target
Cathepsin S
Ligand
BDBM50223938
Substrate
n/a
Meas. Tech.
ChEMBL_487680 (CHEMBL1009448)
IC50
460±n/a nM
Citation
 Irie, O; Ehara, T; Iwasaki, A; Yokokawa, F; Sakaki, J; Hirao, H; Kanazawa, T; Teno, N; Horiuchi, M; Umemura, I; Gunji, H; Masuya, K; Hitomi, Y; Iwasaki, G; Nonomura, K; Tanabe, K; Fukaya, H; Kosaka, T; Snell, CR; Hallett, A Discovery of selective and nonpeptidic cathepsin S inhibitors. Bioorg Med Chem Lett 18:3959-62 (2008) [PubMed]  Article 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50223938
Synonyms:
6-(4-chlorobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile | CHEMBL250589
Type:
Small organic molecule
Emp. Form.:
C19H19ClN4
Mol. Mass.:
338.834
SMILES:
CC(C)(C)Cn1c(Cc2ccc(Cl)cc2)cc2cnc(nc12)C#N
Structure:
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